5-ethyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine

Systemtic Name: 5-ethyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 5-ethyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 5-ethyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 5-ethyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 5-ethyl-3-mesyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2CC3=NN=C(N31)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=CC=CC=C2CC3=NN=C(N31)S(=O)(=O)C

InChI

InChI=1S/C14H15N3O2S/c1-3-12-8-10-6-4-5-7-11(10)9-13-15-16-14(17(12)13)20(2,18)19/h4-8H,3,9H2,1-2H3